(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate

C15H14ClNO3S — CID 4928280

IUPAC(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
SMILESCC(=NOC(=O)COc1ccc(Cl)cc1C)c1cccs1
InChIInChI=1S/C15H14ClNO3S/c1-10-8-12(16)5-6-13(10)19-9-15(18)20-17-11(2)14-4-3-7-21-14/h3-8H,9H2,1-2H3
InChIKeyOIUXOHNTIDQIOR-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.06
Rot. Bonds5

About (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate

(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 4928280) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID4928280
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
SMILESCC(=NOC(=O)COc1ccc(Cl)cc1C)c1cccs1
InChIInChI=1S/C15H14ClNO3S/c1-10-8-12(16)5-6-13(10)19-9-15(18)20-17-11(2)14-4-3-7-21-14/h3-8H,9H2,1-2H3
InChIKeyOIUXOHNTIDQIOR-UHFFFAOYSA-N
XLogP4.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino(pyridin-4-yl)methylidene]amino] 2-(4-chloro-2-methylphenoxy)acetate
CID 2869532
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
CID 2903284
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate
CID 6160907
2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3495541
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
(propan-2-ylideneamino) 2-(3-chlorophenoxy)acetate
CID 88596489
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate (CID 4928280) is (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate is CC(=NOC(=O)COc1ccc(Cl)cc1C)c1cccs1.
What is the InChIKey of (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is OIUXOHNTIDQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-8-12(16)5-6-13(10)19-9-15(18)20-17-11(2)14-4-3-7-21-14/h3-8H,9H2,1-2H3.
What are the key properties of (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate?
(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 323.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 4928280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).